[(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-(thiophen-3-ylmethyl)azanium

Systemtic Name: [(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-(thiophen-3-ylmethyl)azanium Openeye Name: [(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-(3-thienylmethyl)ammonium CAS Name: [(1S)-1-[2-(1-azocanyl)-4-methyl-5-pyrimidinyl]ethyl]-(3-thiophenylmethyl)ammonium IUPAC Name: [(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-(thiophen-3-ylmethyl)azanium Traditional Name: [(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-(3-thenyl)ammonium Formula: C19H29N4S+ MolecularWeight: 345.52536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)[NH2+]CC2=CSC=C2)N3CCCCCCC3

Isomeric SMILES

CC1=NC(=NC=C1[C@H](C)[NH2+]CC2=CSC=C2)N3CCCCCCC3

InChI

InChI=1S/C19H28N4S/c1-15(20-12-17-8-11-24-14-17)18-13-21-19(22-16(18)2)23-9-6-4-3-5-7-10-23/h8,11,13-15,20H,3-7,9-10,12H2,1-2H3/p+1/t15-/m0/s1